1-{4-[6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
1-{4-[6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | S352-0911 |
| Compound Name: | 1-{4-[6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C23 H25 N5 O3 S |
| Smiles: | Cc1ccc(cc1)C1Cn2c(CO1)c(C(N1CCN(CC1)C(Cc1cccs1)=O)=O)nn2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5723 |
| logD: | 1.5723 |
| logSw: | -2.0116 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.355 |
| InChI Key: | VKTLMDDUHCZMOR-HXUWFJFHSA-N |